1XH9
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | cAMP-dependent protein kinase, alpha-catalytic subunit | polymer | 350 | 40664.4 | 1 | UniProt (P00517) Pfam (PF00069) | Bos taurus (cattle) | Protein Kinase A, PKA C-alpha |
| 2 | B (B) | cAMP-dependent protein kinase inhibitor, alpha form | polymer | 20 | 2226.4 | 1 | UniProt (P61925) | synthetic construct | Protein Kinase Inhibitor Peptide; PKI-alpha; cAMP-dependent protein kinase inhibitor, muscle/brain isoform |
| 3 | C (A) | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE | non-polymer | 501.6 | 1 | Chemie (R69) | |||
| 4 | D, E, F (A) | (R,R)-2,3-BUTANEDIOL | non-polymer | 90.1 | 3 | Chemie (BU3) | |||
| 5 | G, H (A, B) | water | water | 18.0 | 336 | Chemie (HOH) |
Sequence modifications
A: 1 - 350 (UniProt: P00517)
| PDB | External Database | Details |
|---|---|---|
| Glu 84 | Gln 84 | engineered mutation |
| Ala 123 | Val 123 | engineered mutation |
| Met 173 | Leu 173 | engineered mutation |
| Lys 181 | Gln 181 | engineered mutation |
| Leu 187 | Phe 187 | engineered mutation |
| Tpo 197 | Thr 197 | modified residue |
| Sep 338 | Ser 338 | modified residue |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 42890.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 771.9 | |
| All* | Total formula weight | 43662.8 |
